SCHEMBL1114586

SCHEMBL1114586

COC(=O)C(C)(C)CC=C(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
MMP1 P03956 3/20 0.37
MMP9 P14780 3/20 0.37
MMP13 P45452 3/20 0.37
ADAM17 P78536 2/20 0.37
CCR2 P41597 1/20 0.37
DGAT1 O75907 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
GGPS1 O95749 3/20 0.31
BTN3A1 O00481 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10655712 0.79 CYP4F2 (0.46) MAPK1L3MBTL1ALDH1A1MEN1TSHR
SCHEMBL10881164 0.78 MAPK1 (0.38) MAPK1MMP1MMP9MMP13ADAM17
SCHEMBL16375064 0.77
SCHEMBL16375065 0.77
SCHEMBL2440426 0.77 MAPK1 (0.39) MAPK1CCR2L3MBTL1ALDH1A1MEN1
SCHEMBL365038 0.77 DGAT1 (0.38) DGAT1TSHR
SCHEMBL17106359 0.77 MAPK1 (0.41) MAPK1MMP1MMP9MMP13ADAM17
SCHEMBL11743781 0.76 MAPK1 (0.37) MAPK1MMP1MMP9MMP13ADAM17
SCHEMBL631049 0.76 CYP2C19 (0.38) MMP1MMP9MMP13CCR2DGAT1
SCHEMBL1114811 0.75 MAPK1 (0.40) MAPK1CCR2L3MBTL1ALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122847-A1 PERFUME SYSTEMS The Procter & Gamble Company (US) 2017-02-01 EP claimed
US-20160289593-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2016-10-06 US claimed
WO-2015148743-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2015-10-01 WO claimed
US-20150275132-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2015-10-01 US claimed
EP-2279741-A2 Caprolactams and their use as anti-inflammatory agents Cambridge Enterprise Ltd. (GB) 2011-02-02 EP claimed
US-20080227724-A1 3-(alkanoyl or alkenoyl)amino-caprolactams; autoimmune diseases, asthma, osteoporosis, transplant rejection, psoriasis, Alzheimer's Disease, Multiple sclerosis, ALS; antitumor, antiarthritic, antifibrotic, and antiscarring agents CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2008-09-18 US claimed
EP-1691814-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2006-08-23 EP claimed
WO-2005053702-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2005-06-16 WO claimed
EP-3521409-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2024-08-14 EP disclosed
EP-3521409-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2019-08-07 EP disclosed
EP-3122847-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2019-05-15 EP disclosed
EP-3122847-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2019-05-15 EP disclosed
US-20160289593-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2016-10-06 US disclosed
US-20160289593-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2016-10-06 US disclosed
EP-0058632-B1 (13E)-(8R,11R,12R)-11,15-DIHYDROXY-16,19-DIMETHYL-9-OXO-13,18-PROSTADIENOIC ACIDS AND THEIR SALTS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SCHERING AKTIENGESELLSCHAFT (DE) 1984-04-11 EP disclosed
US-4359467-A Prostanoic acid derivatives and their preparation SCHERING AKTIENGESELLSCHAFT (DE) 1982-11-16 US disclosed
EP-0059158-A2 Aza prostacyclins, their preparation and therapeutic applications SCHERING AKTIENGESELLSCHAFT (DE) 1982-09-01 EP disclosed
EP-0058632-A1 (13E)-(8R,11R,12R)-11,15-dihydroxy-16,19-dimethyl-9-oxo-13,18-prostadienoic acids and their salts, their preparation and pharmaceutical compositions SCHERING AKTIENGESELLSCHAFT (DE) 1982-08-25 EP disclosed
US-4284646-A Prostanoic acid derivatives and their preparation SCHERING AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
US-4220798-A 19-Methyl-9-keto-15-hydroxy-prost-18-enoic acid derivatives and process of their preparation SCOLASTICO CAROL (IT) 1980-09-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080227724-A1 3-(alkanoyl or alkenoyl)amino-caprolactams; autoimmune diseases, asthma, osteoporosis, transplant rejection, psoriasis, Alzheimer's Disease, Multiple sclerosis, ALS; antitumor, antiarthritic, antifibrotic, and antiscarring agents SMURF1, SMURF2, PSEN1 MAPK1 3301/4885MMP1 1420/4885MMP9 1229/4885
US-20160289593-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 MAPK1 4423/4885MMP1 2221/4885MMP9 2905/4885
US-20150275132-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 MAPK1 4423/4885MMP1 2221/4885MMP9 2905/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.